UCSF

ZINC37049466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.55 -92.35 4 3 2 35 229.412 7
Hi High (pH 8-9.5) 1.61 2.28 -42.02 3 3 1 34 228.404 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )